HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10230",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10228",
"results": [
{
"id": "mp-864997",
"created_at": "2022-09-04T14:42:04.969588Z",
"structure_string": "Li1 Si1 Pd2\n1.0\n0.000000 2.979356 2.979356\n2.979356 0.000000 2.979356\n2.979356 2.979356 0.000000\nLi Si Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 7.781614947445828,
"density_atomic": 0.07562454881128877,
"volume": 52.89287754934551,
"volume_molar": 7.9632088450900635,
"formula_full": "Li1 Si1 Pd2",
"formula_reduced": "LiSiPd2",
"formula_anonymous": "ABC2",
"energy": -20.48184045,
"energy_per_atom": -5.1204601125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.48184045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.859000Z",
"spacegroup": 225
},
{
"id": "mp-631503",
"created_at": "2022-09-04T14:42:28.710070Z",
"structure_string": "Zr1 Al1 W1\n1.0\n0.000000 3.182296 3.182296\n3.182296 0.000000 3.182296\n3.182296 3.182296 0.000000\nZr Al W\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Al",
"W"
],
"chemical_system": "Al-W-Zr",
"density": 7.781616224444203,
"density_atomic": 0.046544625499822474,
"volume": 64.45427302904054,
"volume_molar": 12.938423492145123,
"formula_full": "Zr1 Al1 W1",
"formula_reduced": "ZrAlW",
"formula_anonymous": "ABC",
"energy": -23.09275965,
"energy_per_atom": -7.6975865500000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.09275965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0278634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.972000Z",
"spacegroup": 216
},
{
"id": "mp-1227069",
"created_at": "2022-09-04T14:43:08.030547Z",
"structure_string": "Ce2 Cu3 Sb4\n1.0\n4.493518 0.000000 0.000000\n0.000000 4.493518 0.000000\n0.000000 0.000000 10.123445\nCe Cu Sb\n2 3 4\ndirect\n0.500000 0.500000 0.239834 Ce\n0.000000 0.000000 0.746802 Ce\n0.500000 0.000000 0.001024 Cu\n0.000000 0.500000 0.001024 Cu\n0.500000 0.500000 0.621354 Cu\n0.500000 0.000000 0.485852 Sb\n0.000000 0.500000 0.485852 Sb\n0.500000 0.500000 0.866781 Sb\n0.000000 0.000000 0.151479 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sb"
],
"chemical_system": "Ce-Cu-Sb",
"density": 7.781664549358303,
"density_atomic": 0.04402924215383391,
"volume": 204.40960506553512,
"volume_molar": 13.67759349334068,
"formula_full": "Ce2 Cu3 Sb4",
"formula_reduced": "Ce2Cu3Sb4",
"formula_anonymous": "A2B3C4",
"energy": -45.94404622,
"energy_per_atom": -5.1048940244444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.17604622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7366622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.783000Z",
"spacegroup": 99
},
{
"id": "mp-863677",
"created_at": "2022-09-04T14:39:41.002049Z",
"structure_string": "Pm2 Cu6\n1.0\n3.098930 -5.367505 0.000000\n3.098930 5.367505 0.000000\n0.000000 0.000000 4.305887\nPm Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.865169 0.134831 0.750000 Cu\n0.269661 0.134831 0.750000 Cu\n0.865169 0.730339 0.750000 Cu\n0.134831 0.865169 0.250000 Cu\n0.730339 0.865169 0.250000 Cu\n0.134831 0.269661 0.250000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Cu"
],
"chemical_system": "Cu-Pm",
"density": 7.781680035307106,
"density_atomic": 0.0558487090711967,
"volume": 143.24413461019287,
"volume_molar": 10.782954270837116,
"formula_full": "Pm2 Cu6",
"formula_reduced": "PmCu3",
"formula_anonymous": "AB3",
"energy": -35.10063305,
"energy_per_atom": -4.38757913125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.10063305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.644000Z",
"spacegroup": 194
},
{
"id": "mp-10006",
"created_at": "2022-09-04T14:46:04.358579Z",
"structure_string": "Tl1 Ag1 Te2\n1.0\n-1.784595 1.784595 9.505182\n1.784595 -1.784595 9.505182\n1.784595 1.784595 -9.505182\nTl Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Ag\n0.365269 0.365269 0.000000 Te\n0.634731 0.634731 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 7.781764325671806,
"density_atomic": 0.033033928113001314,
"volume": 121.0876280385711,
"volume_molar": 18.23016850856995,
"formula_full": "Tl1 Ag1 Te2",
"formula_reduced": "TlAgTe2",
"formula_anonymous": "ABC2",
"energy": -12.5512844,
"energy_per_atom": -3.1378211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.7072844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.429000Z",
"spacegroup": 119
},
{
"id": "mp-1234306",
"created_at": "2022-09-04T14:45:28.135605Z",
"structure_string": "Mg1 Zn2 Bi6 Ru8 O27\n1.0\n-5.273587 -5.215901 0.000804\n-0.025654 0.026393 -10.341998\n5.240691 -5.183187 0.025205\nMg Zn Bi Ru O\n1 2 6 8 27\ndirect\n0.520851 0.760885 0.502365 Mg\n0.812585 0.277718 0.725765 Zn\n0.920947 0.995924 0.581992 Zn\n0.217283 0.763686 0.239668 Bi\n0.766927 0.237093 0.238839 Bi\n0.225244 0.761887 0.764059 Bi\n0.501918 0.488419 0.984493 Bi\n0.002866 0.490196 0.001205 Bi\n0.486467 0.050766 0.515721 Bi\n0.248997 0.253330 0.245129 Ru\n0.758602 0.745449 0.761631 Ru\n0.759757 0.749087 0.238398 Ru\n0.242651 0.251798 0.749869 Ru\n0.501633 0.993869 0.005084 Ru\n0.006759 0.502368 0.497979 Ru\n0.993708 0.004942 0.999987 Ru\n0.500485 0.489254 0.499851 Ru\n0.246428 0.917433 0.999194 O\n0.754242 0.408826 0.514578 O\n0.244534 0.334020 0.998675 O\n0.768086 0.836902 0.503409 O\n0.559675 0.624418 0.310130 O\n0.008409 0.129732 0.771177 O\n0.957920 0.626183 0.701813 O\n0.441068 0.121338 0.202061 O\n0.548047 0.621740 0.702281 O\n0.042246 0.142622 0.174619 O\n0.959335 0.627103 0.294786 O\n0.415253 0.109833 0.801970 O\n0.743398 0.068692 0.019720 O\n0.255410 0.568207 0.492448 O\n0.747150 0.663314 0.000446 O\n0.254223 0.182407 0.496633 O\n0.443832 0.372563 0.708204 O\n0.954973 0.872801 0.183587 O\n0.038349 0.376900 0.288665 O\n0.552532 0.870539 0.797935 O\n0.455622 0.370939 0.292514 O\n0.956822 0.873343 0.803631 O\n0.054722 0.383180 0.706142 O\n0.550637 0.869540 0.198845 O\n0.754241 0.347808 0.980302 O\n0.304916 0.881760 0.502769 O\n0.251735 0.624937 0.001428 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Mg",
"Zn",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-Mg-O-Ru-Zn",
"density": 7.781825471902479,
"density_atomic": 0.07782391542760497,
"volume": 565.3789038785978,
"volume_molar": 7.7381621406623315,
"formula_full": "Mg1 Zn2 Bi6 Ru8 O27",
"formula_reduced": "MgZn2Bi6Ru8O27",
"formula_anonymous": "AB2C6D8E27",
"energy": -300.93961334,
"energy_per_atom": -6.839536666818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.39061334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.898000Z",
"spacegroup": 1
},
{
"id": "mp-865920",
"created_at": "2022-09-04T14:39:39.823480Z",
"structure_string": "Yb1 Pm1 Zn2\n1.0\n0.000000 3.631462 3.631462\n3.631462 0.000000 3.631462\n3.631462 3.631462 0.000000\nYb Pm Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pm",
"Zn"
],
"chemical_system": "Pm-Yb-Zn",
"density": 7.781862623811331,
"density_atomic": 0.04176240335408506,
"volume": 95.7799283265802,
"volume_molar": 14.420005259134431,
"formula_full": "Yb1 Pm1 Zn2",
"formula_reduced": "YbPmZn2",
"formula_anonymous": "ABC2",
"energy": -10.17197492,
"energy_per_atom": -2.54299373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.17197492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0122635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.220000Z",
"spacegroup": 225
},
{
"id": "mp-1206008",
"created_at": "2022-09-04T14:44:09.796676Z",
"structure_string": "Tb2 Ge6 Pd1\n1.0\n0.000000 4.064362 0.000000\n4.103058 0.000000 0.000000\n0.000000 -2.032181 -11.005372\nTb Ge Pd\n2 6 1\ndirect\n0.777351 0.500000 0.554702 Tb\n0.117786 0.500000 0.235572 Tb\n0.492949 0.500000 0.985897 Ge\n0.379289 0.500000 0.758579 Ge\n0.992250 0.000000 0.984499 Ge\n0.877903 0.000000 0.755806 Ge\n0.669672 0.000000 0.339343 Ge\n0.240991 0.000000 0.481983 Ge\n0.558809 0.000000 0.117619 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Tb",
"density": 7.782133604116813,
"density_atomic": 0.0490385639824988,
"volume": 183.52902836249402,
"volume_molar": 12.280418248277456,
"formula_full": "Tb2 Ge6 Pd1",
"formula_reduced": "Tb2Ge6Pd",
"formula_anonymous": "AB2C6",
"energy": -46.84093052,
"energy_per_atom": -5.204547835555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.84093052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.958000Z",
"spacegroup": 38
},
{
"id": "mp-861257",
"created_at": "2022-09-04T14:45:00.692797Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n-6.463149 0.000000 0.000000\n0.918257 6.442396 0.000000\n-0.027370 -2.220493 -7.282348\nTb Sb O\n6 2 14\ndirect\n0.735292 0.464804 0.117396 Tb\n0.737741 0.474847 0.614660 Tb\n0.540610 0.995769 0.748317 Tb\n0.459390 0.004231 0.251683 Tb\n0.262259 0.525153 0.385340 Tb\n0.264708 0.535196 0.882604 Tb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.710312 0.061359 0.483402 O\n0.924565 0.680032 0.956780 O\n0.709163 0.068089 0.046890 O\n0.931271 0.668655 0.387286 O\n0.899625 0.927986 0.731490 O\n0.559128 0.354268 0.833801 O\n0.548366 0.361556 0.344607 O\n0.451634 0.638444 0.655393 O\n0.440872 0.645732 0.166199 O\n0.100375 0.072014 0.268510 O\n0.068729 0.331345 0.612714 O\n0.290837 0.931911 0.953110 O\n0.075435 0.319968 0.043220 O\n0.289688 0.938641 0.516598 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tb",
"density": 7.78215058367994,
"density_atomic": 0.07255371715046356,
"volume": 303.2236095412713,
"volume_molar": 8.300251174603703,
"formula_full": "Tb6 Sb2 O14",
"formula_reduced": "Tb3SbO7",
"formula_anonymous": "AB3C7",
"energy": -180.49562238,
"energy_per_atom": -8.204346471818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.87762238,
"band_gap": 2.9632,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.796000Z",
"spacegroup": 2
},
{
"id": "mp-1224457",
"created_at": "2022-09-04T14:39:20.515198Z",
"structure_string": "In2 Ni7 B1\n1.0\n4.118887 0.000000 0.000000\n0.000000 4.118887 0.000000\n0.000000 0.000000 8.191630\nIn Ni B\n2 7 1\ndirect\n0.000000 0.000000 0.998088 In\n0.000000 0.000000 0.501912 In\n0.500000 0.500000 0.027425 Ni\n0.500000 0.500000 0.472575 Ni\n0.500000 0.000000 0.250000 Ni\n0.500000 0.000000 0.750000 Ni\n0.000000 0.500000 0.250000 Ni\n0.000000 0.500000 0.750000 Ni\n0.500000 0.500000 0.750000 Ni\n0.500000 0.500000 0.250000 B\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Ni",
"B"
],
"chemical_system": "B-In-Ni",
"density": 7.782168436514485,
"density_atomic": 0.07195648118183642,
"volume": 138.9728879978117,
"volume_molar": 8.369142933465367,
"formula_full": "In2 Ni7 B1",
"formula_reduced": "In2Ni7B",
"formula_anonymous": "AB2C7",
"energy": -49.73432498999999,
"energy_per_atom": -4.973432498999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.73432498999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8549876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.042000Z",
"spacegroup": 123
},
{
"id": "mp-1217843",
"created_at": "2022-09-04T14:46:28.581274Z",
"structure_string": "Tb1 Fe10 Si2\n1.0\n0.000000 0.000000 4.748370\n-4.148651 4.189358 2.374185\n-4.148651 -4.189358 -2.374185\nTb Fe Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.639081 0.360919 0.639081 Fe\n0.360919 0.639081 0.360919 Fe\n0.000000 0.354691 0.354691 Fe\n0.000000 0.645309 0.645309 Fe\n0.500000 0.790505 0.790505 Fe\n0.500000 0.209495 0.209495 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.736028 0.763972 0.236028 Si\n0.263972 0.236028 0.763972 Si\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tb",
"density": 7.782273942418213,
"density_atomic": 0.078761581473966,
"volume": 165.0550910318763,
"volume_molar": 7.64603839498902,
"formula_full": "Tb1 Fe10 Si2",
"formula_reduced": "Tb(Fe5Si)2",
"formula_anonymous": "AB2C10",
"energy": -103.22770026,
"energy_per_atom": -7.9405923276923085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.36970026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.4464748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.240000Z",
"spacegroup": 71
},
{
"id": "mp-1212900",
"created_at": "2022-09-04T14:47:19.889911Z",
"structure_string": "Cu4 Pd6 Se8\n1.0\n9.993199 0.000000 0.000000\n0.000000 5.721829 0.000000\n0.000000 2.711284 5.688487\nCu Pd Se\n4 6 8\ndirect\n0.192925 0.382339 0.983577 Cu\n0.807075 0.617661 0.016423 Cu\n0.692925 0.617661 0.516423 Cu\n0.307075 0.382339 0.483577 Cu\n0.128431 0.739711 0.500949 Pd\n0.871569 0.260289 0.499051 Pd\n0.628431 0.260289 0.999051 Pd\n0.371569 0.739711 0.000949 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.187142 0.986656 0.734389 Se\n0.812858 0.013344 0.265611 Se\n0.687142 0.013344 0.765611 Se\n0.312858 0.986656 0.234389 Se\n0.444840 0.529750 0.739847 Se\n0.555160 0.470250 0.260153 Se\n0.944840 0.470250 0.760153 Se\n0.055160 0.529750 0.239847 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"Pd",
"Se"
],
"chemical_system": "Cu-Pd-Se",
"density": 7.782288003047835,
"density_atomic": 0.0553396393885902,
"volume": 325.2641361394776,
"volume_molar": 10.88214673339854,
"formula_full": "Cu4 Pd6 Se8",
"formula_reduced": "Cu2Pd3Se4",
"formula_anonymous": "A2B3C4",
"energy": -83.50767454999999,
"energy_per_atom": -4.639315252777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.73167455000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.502000Z",
"spacegroup": 14
}
]
}